4-[1-(5-ethoxy-2-pyridinyl)ethoxy]-2,3-difluorobenzoic acid

C16H15F2NO4 — CID 176879130

IUPAC4-[1-(5-ethoxy-2-pyridinyl)ethoxy]-2,3-difluorobenzoic acid
SMILESCCOc1ccc(C(C)Oc2ccc(C(=O)O)c(F)c2F)nc1
InChIInChI=1S/C16H15F2NO4/c1-3-22-10-4-6-12(19-8-10)9(2)23-13-7-5-11(16(20)21)14(17)15(13)18/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyWYJFWCOJFZAVPH-UHFFFAOYSA-N
MW323.30 g/mol
LogP3.60
Rot. Bonds6

About 4-[1-(5-ethoxy-2-pyridinyl)ethoxy]-2,3-difluorobenzoic acid

4-[1-(5-ethoxy-2-pyridinyl)ethoxy]-2,3-difluorobenzoic acid (PubChem CID 176879130) has the molecular formula C16H15F2NO4 and a molecular weight of 323.30 g/mol. Its IUPAC name is 4-[1-(5-ethoxy-2-pyridinyl)ethoxy]-2,3-difluorobenzoic acid.

Molecular Properties

Compound Name4-[1-(5-ethoxy-2-pyridinyl)ethoxy]-2,3-difluorobenzoic acid
PubChem CID176879130
Molecular FormulaC16H15F2NO4
Molecular Weight323.30 g/mol
Exact Mass323.10
IUPAC Name4-[1-(5-ethoxy-2-pyridinyl)ethoxy]-2,3-difluorobenzoic acid
SMILESCCOc1ccc(C(C)Oc2ccc(C(=O)O)c(F)c2F)nc1
InChIInChI=1S/C16H15F2NO4/c1-3-22-10-4-6-12(19-8-10)9(2)23-13-7-5-11(16(20)21)14(17)15(13)18/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyWYJFWCOJFZAVPH-UHFFFAOYSA-N
XLogP3.60
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-2,3-difluorobenzoic acid
CID 46311566
2-ethoxy-5-propan-2-yloxybenzoic acid
CID 152600647
4-[1-(5-phenoxy-2-pyridinyl)ethoxy]-3-(trifluoromethyl)benzoic acid
CID 165416598
4-[(1R)-1-[5-(cyclopropylmethoxy)-2-pyridinyl]propoxy]-2,3-difluoro-N-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 176878957
2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid
CID 117331897
ethyl 2,3-difluoro-4-propan-2-yloxybenzoate
CID 163198291
2-(1-bromoethyl)-4-ethoxybenzoic acid
CID 175301760
5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid
CID 132588856
4-(2-bromoacetyl)oxy-2,3-difluorobenzoic acid
CID 154609531
4-(5-ethoxy-2-pyridinyl)benzoic acid
CID 110282358
4-[(1R)-1-[5-(cyclopropylmethoxy)-2-pyridinyl]propoxy]-2,3-difluoro-N-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]sulfonylbenzamide
CID 176879095
2-(5-methoxy-2-pyridinyl)propanoic acid
CID 82654412

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-ethoxy-2-pyridinyl)ethoxy]-2,3-difluorobenzoic acid?
The IUPAC name of 4-[1-(5-ethoxy-2-pyridinyl)ethoxy]-2,3-difluorobenzoic acid (CID 176879130) is 4-[1-(5-ethoxy-2-pyridinyl)ethoxy]-2,3-difluorobenzoic acid.
What is the SMILES notation for 4-[1-(5-ethoxy-2-pyridinyl)ethoxy]-2,3-difluorobenzoic acid?
The canonical SMILES for 4-[1-(5-ethoxy-2-pyridinyl)ethoxy]-2,3-difluorobenzoic acid is CCOc1ccc(C(C)Oc2ccc(C(=O)O)c(F)c2F)nc1.
What is the InChIKey of 4-[1-(5-ethoxy-2-pyridinyl)ethoxy]-2,3-difluorobenzoic acid?
The InChIKey is WYJFWCOJFZAVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4/c1-3-22-10-4-6-12(19-8-10)9(2)23-13-7-5-11(16(20)21)14(17)15(13)18/h4-9H,3H2,1-2H3,(H,20,21).
What are the key properties of 4-[1-(5-ethoxy-2-pyridinyl)ethoxy]-2,3-difluorobenzoic acid?
4-[1-(5-ethoxy-2-pyridinyl)ethoxy]-2,3-difluorobenzoic acid has a molecular weight of 323.30 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-ethoxy-2-pyridinyl)ethoxy]-2,3-difluorobenzoic acid is sourced from PubChem (CID 176879130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).